(5'α,8Xi)-2'-Ethyl-12'-Hydroxy-5'-Methyl-3',6',18-Trioxo-5'-Phenylergotaman
Properties
Property | Value |
---|---|
Formula | C34H37N5O5 |
IUPAC Name | (5'alpha,8xi)-2'-ethyl-12'-hydroxy-5'-methyl-3',6',18-trioxo-5'-phenylergotaman |
Molecular Mass | 595.688 g·mol−1 |
Heat of Formation | -540.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.58 ± 1.08 D |
Volume | 687.52 Å 3 |
Surface Area | 521.42 Å 2 |
HOMO Energy | -8.36 ± 0.55 eV |
LUMO Energy | -0.46 ± eV |
Point Group Symmetry | C1 |
InChIKey | QBIXIEJSLOJATM-VEZBTEOQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |